Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.8654   -1.1013   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999    0.0982    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    0.3905    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5715    1.7051    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    1.9991    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    1.0327    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.2617   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.5477   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414   -1.3237   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -1.9039   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214   -1.3420    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989    0.9111    0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099    2.4586    0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    3.0275    0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.3165    0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781   -1.5765   -0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601   -1.7405    0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908   -0.9636   -1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -2.1783   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers